8B2W
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![BU of 8b2w by Molmil](/molmil-images/mine/8b2w) | Millisecond cryo-trapping by the spitrobot crystal plunger, CTX-M-14 E166A, Ampicillin, 500 MS | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | Deposit date: | 2022-09-14 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography. Nat Commun, 14, 2023
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1FXD
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![BU of 1fxd by Molmil](/molmil-images/mine/1fxd) | REFINED CRYSTAL STRUCTURE OF FERREDOXIN II FROM DESULFOVIBRIO GIGAS AT 1.7 ANGSTROMS | Descriptor: | FE3-S4 CLUSTER, FERREDOXIN II | Authors: | Kissinger, C.R, Sieker, L.C, Adman, E.T, Jensen, L.H. | Deposit date: | 1991-04-08 | Release date: | 1993-04-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Refined crystal structure of ferredoxin II from Desulfovibrio gigas at 1.7 A. J.Mol.Biol., 219, 1991
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8B2O
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![BU of 8b2o by Molmil](/molmil-images/mine/8b2o) | Millisecond cryo-trapping by the spitrobot crystal plunger, CTX-M-14 E166A, Ampicillin, 5 sec | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | Deposit date: | 2022-09-14 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography. Nat Commun, 14, 2023
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7QS6
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8B2V
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![BU of 8b2v by Molmil](/molmil-images/mine/8b2v) | Millisecond cryo-trapping by the spitrobot crystal plunger, CTX-M-14 E166A Ampicillin, 1 sec | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | Deposit date: | 2022-09-14 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography. Nat Commun, 14, 2023
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2PO5
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![BU of 2po5 by Molmil](/molmil-images/mine/2po5) | Crystal structure of human ferrochelatase mutant with His 263 replaced by Cys | Descriptor: | CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, Ferrochelatase, ... | Authors: | Dailey, H.A, Wu, C.-K, Horanyi, P, Medlock, A.E, Najahi-Missaoui, A.E.W, Burden, A, Dailey, T.A, Rose, J.P. | Deposit date: | 2007-04-25 | Release date: | 2007-10-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Altered orientation of active site residues in variants of human ferrochelatase. Evidence for a hydrogen bond network involved in catalysis Biochemistry, 46, 2007
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1G1U
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![BU of 1g1u by Molmil](/molmil-images/mine/1g1u) | THE 2.5 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE RXRALPHA LIGAND BINDING DOMAIN IN TETRAMER IN THE ABSENCE OF LIGAND | Descriptor: | RETINOIC ACID RECEPTOR RXR-ALPHA | Authors: | Gampe Jr, R.T, Montana, V.G, Lambert, M.H, Wisely, G.B, Milburn, M.V, Xu, H.E. | Deposit date: | 2000-10-13 | Release date: | 2001-04-25 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for autorepression of retinoid X receptor by tetramer formation and the AF-2 helix. Genes Dev., 14, 2000
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7S8T
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![BU of 7s8t by Molmil](/molmil-images/mine/7s8t) | M. xanthus ferritin-like protein EncC | Descriptor: | EncC, FE (III) ION | Authors: | Eren, E. | Deposit date: | 2021-09-19 | Release date: | 2022-02-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural characterization of the Myxococcus xanthus encapsulin and ferritin-like cargo system gives insight into its iron storage mechanism. Structure, 30, 2022
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6YV0
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![BU of 6yv0 by Molmil](/molmil-images/mine/6yv0) | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 587 | Descriptor: | (3~{R})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ruza, R.R, Hillier, J, Jones, E.Y. | Deposit date: | 2020-04-27 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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6YUY
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![BU of 6yuy by Molmil](/molmil-images/mine/6yuy) | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 471 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Hillier, J, Ruza, R.R, Jones, E.Y. | Deposit date: | 2020-04-27 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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7QHF
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![BU of 7qhf by Molmil](/molmil-images/mine/7qhf) | [FeFe]-hydrogenase I from Clostridium pasteurianum (CpI), variant G302S | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Brocks, C, Duan, J, Hofmann, E, Happe, T. | Deposit date: | 2021-12-12 | Release date: | 2023-09-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | A Dynamic Water Channel Affects O 2 Stability in [FeFe]-Hydrogenases. Chemsuschem, 2023
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6N0K
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![BU of 6n0k by Molmil](/molmil-images/mine/6n0k) | The complex of CCG-257081 bound to pirin | Descriptor: | (3R)-N-(4-chlorophenyl)-5,5-difluoro-1-[3-fluoro-5-(pyridin-4-yl)benzene-1-carbonyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, FE (III) ION, ... | Authors: | Lisabeth, E.M, Jin, X, Neubig, R. | Deposit date: | 2018-11-07 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Identification of Pirin as a Molecular Target of the CCG-1423/CCG-203971 Series of Antifibrotic and Antimetastatic Compounds ACS Pharmacol Transl Sci, 2, 2019
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1G8Z
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![BU of 1g8z by Molmil](/molmil-images/mine/1g8z) | HIS57ALA MUTANT OF CHOLERA TOXIN B-PENATMER | Descriptor: | CHOLERA TOXIN B PROTEIN, beta-D-galactopyranose | Authors: | Aman, A.T, Fraser, S, Merritt, E.A, Rodigherio, C, Kenny, M. | Deposit date: | 2000-11-21 | Release date: | 2001-07-25 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A mutant cholera toxin B subunit that binds GM1- ganglioside but lacks immunomodulatory or toxic activity. Proc.Natl.Acad.Sci.USA, 98, 2001
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1G3E
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![BU of 1g3e by Molmil](/molmil-images/mine/1g3e) | BOVINE BETA-TRYPSIN BOUND TO PARA-AMIDINO SCHIFF-BASE COPPER (II) CHELATE | Descriptor: | 2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Toyota, E, Ng, K.K.S, Sekizaki, H, Itoh, K, Tanizawa, K, James, M.N.G. | Deposit date: | 2000-10-23 | Release date: | 2001-01-17 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystallographic analyses of complexes between bovine beta-trypsin and Schiff base copper(II) or iron(III) chelates. J.Mol.Biol., 305, 2001
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6FP4
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![BU of 6fp4 by Molmil](/molmil-images/mine/6fp4) | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1,8-Naphthyridine-2-carboxylic acid | Descriptor: | (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, 1,8-naphthyridine-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | Deposit date: | 2018-02-09 | Release date: | 2018-06-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry. ACS Chem. Biol., 13, 2018
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1G4T
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![BU of 1g4t by Molmil](/molmil-images/mine/1g4t) | THIAMIN PHOSPHATE SYNTHASE | Descriptor: | 3-(4-AMINO-2-TRIFLUOROMETHYL-PYRIMIDIN-5-YLMETHYL)-4-METHYL-5-(2-PHOSPHONATOOXY-ETHYL)-THIAZOL-3-IUM, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | Authors: | Peapus, D.H, Chiu, H.-J, Campobasso, N, Reddick, J.J, Begley, T.P, Ealick, S.E. | Deposit date: | 2000-10-28 | Release date: | 2001-09-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural characterization of the enzyme-substrate, enzyme-intermediate, and enzyme-product complexes of thiamin phosphate synthase. Biochemistry, 40, 2001
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6Z9H
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![BU of 6z9h by Molmil](/molmil-images/mine/6z9h) | Escherichia coli D-2-deoxyribose-5-phosphate aldolase - C47V/G204A/S239D mutant | Descriptor: | 1,2-ETHANEDIOL, Deoxyribose-phosphate aldolase, FORMIC ACID, ... | Authors: | Paakkonen, J, Hakulinen, N, Rouvinen, J. | Deposit date: | 2020-06-04 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Substrate specificity of 2-deoxy-D-ribose 5-phosphate aldolase (DERA) assessed by different protein engineering and machine learning methods. Appl.Microbiol.Biotechnol., 104, 2020
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5YJO
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7JTK
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![BU of 7jtk by Molmil](/molmil-images/mine/7jtk) | Radial spoke 1 isolated from Chlamydomonas reinhardtii | Descriptor: | Cytochrome b5 heme-binding domain-containing protein, Dynein 8 kDa light chain, flagellar outer arm, ... | Authors: | Gui, M, Ma, M, Sze-Tu, E, Wang, X, Koh, F, Zhong, E, Berger, B, Davis, J, Dutcher, S, Zhang, R, Brown, A. | Deposit date: | 2020-08-17 | Release date: | 2020-12-16 | Last modified: | 2021-01-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of radial spokes and associated complexes important for ciliary motility. Nat.Struct.Mol.Biol., 28, 2021
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7REK
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5H2P
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![BU of 5h2p by Molmil](/molmil-images/mine/5h2p) | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 657 us after photoexcitation | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | Deposit date: | 2016-10-15 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A three-dimensional movie of structural changes in bacteriorhodopsin Science, 354, 2016
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6IDL
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![BU of 6idl by Molmil](/molmil-images/mine/6idl) | Cryo-EM structure of Immature Dengue virus serotype 3 in complex with human antibody 1H10 Fab at pH 5.0 (Class II particle) | Descriptor: | Envelope protein, Fab 1H10 heavy chain (V-region), Fab 1H10 light chain (V-region), ... | Authors: | Wirawan, M, Fibriansah, G, Ng, T.S, Zhang, Q, Kostyuchenko, V.A, Shi, J, Lok, S.M. | Deposit date: | 2018-09-10 | Release date: | 2018-12-12 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (25 Å) | Cite: | Mechanism of Enhanced Immature Dengue Virus Attachment to Endosomal Membrane Induced by prM Antibody. Structure, 27, 2019
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5H2H
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![BU of 5h2h by Molmil](/molmil-images/mine/5h2h) | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 40 ns after photoexcitation | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | Deposit date: | 2016-10-15 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A three-dimensional movie of structural changes in bacteriorhodopsin Science, 354, 2016
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7RGR
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![BU of 7rgr by Molmil](/molmil-images/mine/7rgr) | Lysozyme 056 from Deep neural language modeling | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Artificial protein L056, CHLORIDE ION | Authors: | Fraser, J.S, Holton, J.M, Olmos Jr, J.L, Greene, E.R. | Deposit date: | 2021-07-15 | Release date: | 2021-07-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Large language models generate functional protein sequences across diverse families. Nat.Biotechnol., 2023
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5YO2
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![BU of 5yo2 by Molmil](/molmil-images/mine/5yo2) | The crystal structure of Rv2747 from Mycobacterium tuberculosis in complex with Acetyl CoA and L-Arginine | Descriptor: | ACETYL COENZYME *A, ARGININE, Amino-acid acetyltransferase | Authors: | Singh, E, Tiruttani Subhramanyam, U.K, Pal, R.K, Srinivasan, A, Gourinath, S, Das, U. | Deposit date: | 2017-10-26 | Release date: | 2018-11-07 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.997 Å) | Cite: | Structural insights into the substrate binding mechanism of novel ArgA from Mycobacterium tuberculosis Int. J. Biol. Macromol., 125, 2019
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